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Target
Protective antigen
Ligand
BDBM50398482
Substrate
n/a
Meas. Tech.
ChEMBL_872963 (CHEMBL2187863)
EC50
1000±n/a nM
Citation
 Wein, AN; Williams, BN; Liu, S; Ermolinsky, B; Provenzano, D; Abagyan, R; Orry, A; Leppla, SH; Peredelchuk, M Small molecule inhibitors of Bacillus anthracis protective antigen proteolytic activation and oligomerization. J Med Chem 55:7998-8006 (2012) [PubMed]  Article 
Target
Name:
Protective antigen
Synonyms:
PAG_BACAN | pag | pagA
Type:
PROTEIN
Mol. Mass.:
85806.95
Organism:
Bacillus anthracis
Description:
ChEMBL_872965
Residue:
764
Sequence:
MKKRKVLIPLMALSTILVSSTGNLEVIQAEVKQENRLLNESESSSQGLLGYYFSDLNFQAPMVVTSSTTGDLSIPSSELENIPSENQYFQSAIWSGFIKVKKSDEYTFATSADNHVTMWVDDQEVINKASNSNKIRLEKGRLYQIKIQYQRENPTEKGLDFKLYWTDSQNKKEVISSDNLQLPELKQKSSNSRKKRSTSAGPTVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSPEKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSKNEDQSTQNTDSQTRTISKNTSTSRTHTSEVHGNAEVHASFFDIGGSVSAGFSNSNSSTVAIDHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG
  
Inhibitor
Name:
BDBM50398482
Synonyms:
CHEMBL2179142
Type:
Small organic molecule
Emp. Form.:
C22H18N4O4
Mol. Mass.:
402.4027
SMILES:
NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
Structure:
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